0 B12R1.253 CC(=O)C(C)(C)C1=CC=CC=C1 Z406676998 [0,0,0,0,0,0|2,0,0]=2 1 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 Z104493600 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.253 CC(C)(C(=O)O)C1=CN=CC=C1 Z1582263901 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.253 CC(C)(C(=O)[O-])C1=NC=CC=C1 Z2242071109 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.253 CC(C)(C(=O)[O-])C1=NC=NC=C1 Z2715028321 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.253 CC(N)(C(=O)N)C1=CC=CC=C1 Z1211228973 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 Z600397716 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.253 CC(N)(C(=O)O)C1=CN=CC=C1 Z4079861885 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.253 CC(N)C(C)(C)C1=CC=CC=C1 Z406677008 [0,0,0,0,0,0|3,0,1]=4 9 B12R1.253 CC(N)C(C)(O)C1=CC=CC=C1 Z2466617796 [0,0,0,0,0,0|2,0,1]=3 10 B12R1.253 CC(O)(C(=N)N)C1=CC=CC=C1 Z1723549308 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 Z336127660 [0,0,0,0,0,0|0,0,0]=0 12 B12R1.253 C[C@@](O)(C(=O)O)C1=CC=CC=C1 Z1154245575 [0,0,0,0,0,0|0,0,0]=0 13 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 Z1119104455 [0,0,0,0,0,0|0,0,0]=0 14 B12R1.253 NC(=O)C(F)(F)C1=CC=CC=C1 Z56757372 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.253 O=C(O)C(F)(F)C1=CC=CC=C1 Z56770330 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.253 O=C(O)C(F)(F)C1=NC=CN=C1 Z1183458026 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 Z339435272 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 Z1079442604 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.7 CC(C)(C=O)C1=CC=NC=C1 Z2732458612 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.7 CC(C)(C=O)C1=CN=CC=C1 Z1511889697 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.7 CC(C)(C=O)C1=NC=CC=C1 Z1255506395 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.7 CC(C)(CN)C1=CC=CC=C1 Z291234238 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.7 CC(C)(CO)C1=CC=CC=C1 Z397587218 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.7 CC(C)(CO)C1=NC=CC=C1 Z1216821531 [1,0,0,0,0,0|2,0,1]=4 25 B11R1.7 CC(F)(C#N)C1=CC=CC=C1 Z1695669743 [1,0,0,0,0,0|2,0,1]=4 26 B11R1.7 CC(F)(CN)C1=CC=CC=C1 Z2768234774 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.7 CC(N)(CO)C1=CC=CC=C1 Z734150992 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.7 CC(O)(CN)C1=CC=CC=C1 Z979721628 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.7 CCC(C)(N)C1=CC=CC=C1 Z449373366 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.7 CCC(C)(O)C1=CC=CC=C1 Z449373348 [1,0,0,0,0,0|1,0,1]=3 31 B11R1.7 CNC(C)(C)C1=CC=CC=C1 Z991114970 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 Z1201618094 [1,0,0,0,0,0|0,0,2]=3 33 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [1,0,0,0,0,0|1,0,2]=4 34 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 Z1255383314 [1,0,0,0,0,0|1,0,0]=2 35 B11R1.36 CC(=O)C(N)C1=CC=CC=C1 Z3234810419 [1,0,0,0,0,0|2,0,0]=3 36 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 Z31506242 [1,0,0,0,0,0|2,0,0]=3 37 B11R1.36 CC(=O)N(C)C1=CC=NC=C1 Z1889797965 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.36 CC(=O)N(C)C1=CN=CC=C1 Z1203252645 [1,0,0,0,0,0|3,0,0]=4 39 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 Z223364322 [1,0,0,0,0,0|3,0,0]=4 40 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 Z1255506457 [1,0,0,0,0,0|1,0,0]=2 41 B11R1.36 CC(C(=O)O)C1=CN=CC=C1 Z792377268 [1,0,0,0,0,0|1,0,0]=2 42 B11R1.36 CC(C(=O)O)C1=CN=CN=C1 Z1860991554 [1,0,0,0,0,0|2,0,0]=3 43 B11R1.36 CC(C(=O)[O-])C1=CC=NC=C1 Z2408359395 [1,0,0,0,0,0|1,0,1]=3 44 B11R1.36 CC(C(=O)[O-])C1=NC=CC=N1 Z2216711550 [1,0,0,0,0,0|2,0,1]=4 45 B11R1.36 CC(N)C(C)C1=CC=CC=C1 Z1203578901 [1,0,0,0,0,0|2,0,1]=4 46 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Z2588063686 [1,0,0,0,0,0|2,0,1]=4 47 B11R1.36 CN(C(=N)N)C1=CC=CC=C1 Z1269638527 [1,0,0,0,0,0|3,0,0]=4 48 B11R1.36 CN(C(=O)N)C1=CN=CC=C1 Z1188339188 [1,0,0,0,0,0|3,0,0]=4 49 B11R1.36 C[C@@H](C(=O)O)C1=CN=CC=C1 Z5462337230 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.36 C[C@H](C(=O)O)C1=CN=CC=C1 Z5462556304 [1,0,0,0,0,0|1,0,0]=2 51 B11R1.36 NC(=O)C(Cl)C1=CC=CC=C1 Z57069256 [1,0,0,0,0,0|2,0,0]=3 52 B11R1.36 NC(=O)C(N)C1=CC=CC=C1 Z57204607 [1,0,0,0,0,0|2,0,0]=3 53 B11R1.36 NC(=O)C(N)C1=NC=CC=C1 Z1251358507 [1,0,0,0,0,0|3,0,0]=4 54 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 Z147647142 [1,0,0,0,0,0|1,0,0]=2 55 B11R1.36 NC(C(=O)O)C1=CN=CC=C1 Z815264186 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.36 N[C@@H](C(=O)O)C1=CC=CC=C1 Z278101784 [1,0,0,0,0,0|1,0,0]=2 57 B11R1.36 N[C@H](C(=O)O)C1=CC=CC=C1 Z957336528 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [1,0,0,0,0,0|0,0,2]=3 59 B11R1.36 O=C(O)C(Cl)C1=CC=CC=C1 Z104495824 [1,0,0,0,0,0|1,0,0]=2 60 B11R1.36 O=C(O)C(F)C1=CC=CC=C1 Z1203161992 [1,0,0,0,0,0|1,0,0]=2 61 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 Z104473974 [1,0,0,0,0,0|0,0,0]=1 62 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 Z808230894 [1,0,0,0,0,0|0,1,0]=2 63 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 Z1201618616 [1,0,0,0,0,0|0,0,0]=1 64 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 Z1255390767 [1,0,0,0,0,0|0,0,0]=1 65 B11R1.36 O=C([O-])C(O)C1=NC=CC=C1 Z2357023524 [1,0,0,0,0,0|1,0,1]=3 66 B13R1.155 CC(C)(O)C(C)(C)C1=CC=CC=C1 Z2235778653 [0,1,0,0,0,0|2,0,1]=4 67 B13R1.522 CC(=O)C(C)(C)C1=CC=C(C=C1)F Z406677002 [0,1,0,0,0,0|2,0,0]=3 68 B13R1.522 CC(=O)C(F)(F)C1=CC=C(C=C1)Br Z1861995091 [0,1,0,0,0,0|3,0,0]=4 69 B13R1.522 CC(C)(C(=O)N)C1=CC=C(C=C1)F Z1102068247 [0,1,0,0,0,0|2,0,0]=3 70 B13R1.522 CC(C)(C(=O)N)C1=CC=C(C=C1)N Z1238509879 [0,1,0,0,0,0|2,0,0]=3 71 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)Br Z415660212 [0,1,0,0,0,0|1,0,0]=2 72 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)Cl Z606339610 [0,1,0,0,0,0|1,0,0]=2 73 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)F Z725146444 [0,1,0,0,0,0|1,0,0]=2 74 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)N Z1235993363 [0,1,0,0,0,0|1,0,0]=2 75 B13R1.522 CC(C)(C(=O)O)C1=CC=C(C=C1)O Z1258981351 [0,1,0,0,0,0|1,0,0]=2 76 B13R1.522 CC(C)(C(=O)O)C1=CN=C(C=C1)N Z1762997301 [0,1,0,0,0,0|2,0,0]=3 77 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)Br Z317024914 [0,1,0,0,0,0|1,0,0]=2 78 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)Cl Z317024852 [0,1,0,0,0,0|1,0,0]=2 79 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)F Z317024742 [0,1,0,0,0,0|1,0,0]=2 80 B13R1.522 CC(N)(C(=O)O)C1=CC=C(C=C1)O Z1255523384 [0,1,0,0,0,0|1,0,0]=2 81 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl Z788000388 [0,1,0,0,0,0|0,0,0]=1 82 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)F Z788000970 [0,1,0,0,0,0|0,0,0]=1 83 B13R1.522 CC1=CC=C(C=C1)C(C)(C)C(=O)O Z725146466 [0,1,0,0,0,0|1,0,0]=2 84 B13R1.522 CC1=CN=C(C=C1)C(F)(F)C(=O)O Z3773488335 [0,1,0,0,0,0|3,0,0]=4 85 B13R1.522 CC1=NC=C(C=C1)C(F)(F)C(=O)O Z1889872506 [0,1,0,0,0,0|3,0,0]=4 86 B13R1.522 O=C(O)C(F)(F)C1=CC=C(C=C1)Cl Z335859722 [0,1,0,0,0,0|2,0,0]=3 87 B13R1.522 O=C(O)C(F)(F)C1=CC=C(C=C1)F Z335859720 [0,1,0,0,0,0|2,0,0]=3 88 B13R1.522 O=C(O)C(F)(F)C1=NC=C(C=C1)F Z1255460797 [0,1,0,0,0,0|3,0,0]=4 89 B13R1.708 CC(C)(C(=O)CCl)C1=CC=CC=C1 Z1262489088 [0,1,0,0,0,0|2,0,0]=3 90 B13R1.708 CC(C)(C(=O)NO)C1=CC=CC=C1 Z59183852 [0,1,0,0,0,0|1,0,0]=2 91 B13R1.708 CCC(=O)C(C)(C)C1=CC=CC=C1 Z1082244570 [0,1,0,0,0,0|2,0,0]=3 92 B13R1.708 CCC(O)C(C)(C)C1=CC=CC=C1 Z1082244996 [0,1,0,0,0,0|2,0,1]=4 93 B13R1.708 CNC(=O)C(C)(C)C1=CC=CC=C1 Z252380220 [0,1,0,0,0,0|2,0,0]=3 94 B13R1.708 COC(=O)C(C)(N)C1=CC=CC=C1 Z1263529567 [0,1,0,0,0,0|1,0,0]=2 95 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 Z965047342 [0,1,0,0,0,0|0,0,0]=1 96 B13R1.3085 CCC(N)(C(=O)O)C1=CC=CC=C1 Z317024888 [0,1,0,0,0,0|1,0,0]=2 97 B13R1.3085 CCC(O)(C(=O)O)C1=CC=CC=C1 Z788000464 [0,1,0,0,0,0|0,0,0]=1 98 B13R1.3085 CNC(C)(C(=O)N)C1=CC=NC=C1 Z1511513965 [0,1,0,0,0,0|3,0,0]=4 99 B13R1.3085 COC(C)(C(=O)O)C1=CC=CC=C1 Z803492240 [0,1,0,0,0,0|0,0,0]=1 100 B13R1.3493 CC(C)(C(=O)N)C1=CC(=CC=C1)Br Z1022691264 [0,1,0,0,0,0|2,0,0]=3 101 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Br Z725146472 [0,1,0,0,0,0|1,0,0]=2 102 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Cl Z725146336 [0,1,0,0,0,0|1,0,0]=2 103 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)F Z725146400 [0,1,0,0,0,0|1,0,0]=2 104 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)O Z1258979084 [0,1,0,0,0,0|1,0,0]=2 105 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CN=C1)Br Z1269244390 [0,1,0,0,0,0|2,0,0]=3 106 B13R1.3493 CC(N)(C(=O)N)C1=CC(=CC=C1)Cl Z477337870 [0,1,0,0,0,0|2,0,0]=3 107 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)Br Z317024850 [0,1,0,0,0,0|1,0,0]=2 108 B13R1.3493 CC(N)(C(=O)O)C1=CC(=CC=C1)F Z317024954 [0,1,0,0,0,0|1,0,0]=2 109 B13R1.3493 CC(O)(C(=O)O)C1=CC(=CC=C1)F Z788000530 [0,1,0,0,0,0|0,0,0]=1 110 B13R1.3493 CC1=CC(=CC=C1)C(F)(F)C(=O)O Z335859730 [0,1,0,0,0,0|2,0,0]=3 111 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Br Z335859736 [0,1,0,0,0,0|2,0,0]=3 112 B13R1.3493 O=C(O)C(F)(F)C1=CC(=CC=C1)Cl Z335859734 [0,1,0,0,0,0|2,0,0]=3 113 B13R1.3802 CC(C)(C(=O)O)C1=C(C=CC=C1)Br Z1020847950 [0,1,0,0,0,0|1,0,0]=2 114 B13R1.3802 CC(C)(C(=O)O)C1=C(C=CC=C1)Cl Z858031346 [0,1,0,0,0,0|1,0,0]=2 115 B13R1.3802 CC(C)(C(=O)O)C1=C(C=CC=C1)F Z825741292 [0,1,0,0,0,0|1,0,0]=2 116 B13R1.3802 CC(F)(C(=O)O)C1=C(C=CC=C1)F Z1509054567 [0,1,0,0,0,0|1,0,0]=2 117 B13R1.3802 CC(N)(C(=O)O)C1=C(C=CC=C1)Br Z1259339920 [0,1,0,0,0,0|1,0,0]=2 118 B13R1.3802 CC(N)(C(=O)O)C1=C(C=CC=C1)Cl Z317024842 [0,1,0,0,0,0|1,0,0]=2 119 B13R1.3802 CC(N)(C(=O)O)C1=C(C=CC=C1)F Z317024932 [0,1,0,0,0,0|1,0,0]=2 120 B13R1.3802 CC1=C(C=CC=C1)C(C)(C)C(=O)O Z725146330 [0,1,0,0,0,0|1,0,0]=2 121 B13R1.3802 CC1=C(C=CC=C1)C(F)(F)C(=O)O Z982129398 [0,1,0,0,0,0|2,0,0]=3 122 B13R1.3802 CC1=C(N=CC=C1)C(F)(F)C(=O)O Z1918018510 [0,1,0,0,0,0|3,0,0]=4 123 B13R1.3802 O=C(O)C(F)(F)C1=C(C=CC=C1)Br Z1284998422 [0,1,0,0,0,0|2,0,0]=3 124 B13R2.359 CC1(C(=O)NC2=C1C=CC=C2)C Z1198151464 [0,0,0,1,0,0|2,0,0]=3 125 B13R2.359 CC1(C(=O)NC2=C1C=CC=C2)O Z1198279633 [0,0,0,1,0,0|1,0,0]=2 126 B13R2.359 CC1=NC2=C(C1(C)C)C=CC=C2 Z339406798 [0,0,0,1,0,0|3,0,0]=4 127 B13R2.439 CC(C)C1(CO1)C2=CC=CC=C2 Z1020684114 [0,0,0,1,0,0|2,0,1]=4 128 B13R2.439 NC(=O)C1(CC1)C2=CC=CC=C2 Z68591096 [0,0,0,1,0,0|2,0,0]=3 129 B13R2.439 O=C(O)C1(CC1)C2=CC=CC=C2 Z104485900 [0,0,0,1,0,0|1,0,0]=2 130 B13R2.439 O=C(O)C1(CC1)C2=CC=NC=C2 Z3477424490 [0,0,0,1,0,0|2,0,0]=3 131 B13R2.439 O=C(O)C1(CC1)C2=CN=CC=C2 Z1966486321 [0,0,0,1,0,0|2,0,0]=3 132 B13R2.439 O=C(O)C1(CC1)C2=NC=CC=C2 Z2630878302 [0,0,0,1,0,0|2,0,0]=3 133 B11R1.173 CC(C)(C(=O)O)C1=CC=CS1 Z982130788 [0,0,0,0,1,0|2,0,0]=3 134 B11R1.173 CC(C)(C(=O)O)C1=CNC=N1 Z1262520778 [0,0,0,0,1,0|3,0,0]=4 135 B11R1.173 CC(C)(C(=O)O)C1=CSC=C1 Z1201627418 [0,0,0,0,1,0|2,0,0]=3 136 B11R1.173 CC(C)(C(=O)O)N1C=CC=N1 Z803460280 [0,0,0,0,1,0|3,0,0]=4 137 B13R1.347 CC(C)(CC(=O)O)C1=CC=CC=C1 Z752371312 [0,0,0,0,0,1|1,0,0]=2 138 B13R1.347 CC(O)(CC(=O)O)C1=CC=CC=C1 Z982131900 [0,0,0,0,0,1|0,0,0]=1 139 B13R1.347 CC(O)CC(C)(C)C1=CC=CC=C1 Z445987050 [0,0,0,0,0,1|2,0,1]=4 140 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)O Z995179618 [0,0,0,0,0,1|1,0,0]=2 141 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)N Z727617504 [0,0,0,0,0,1|2,0,0]=3 142 B13R1.1073 CC(C)(NC1=CC=CC=C1)C(=O)O Z274535156 [0,0,0,0,0,1|1,0,0]=2 143 B13R1.1073 CC(C)(NC1=NC=CC=C1)C(=O)O Z1416165025 [0,0,0,0,0,1|2,0,0]=3 144 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O Z640389616 [0,0,0,0,0,1|1,0,0]=2 145 B13R1.1073 CC(C)(OC1=CN=CC=C1)C(=O)O Z1255405619 [0,0,0,0,0,1|2,0,0]=3 146 B13R1.1073 CC(N)(CC1=CC=CC=C1)C(=O)O Z2680629352 [0,0,0,0,0,1|1,0,0]=2 147 B13R1.1073 CC(N)(CC1=CC=NC=C1)C(=O)O Z1251361035 [0,0,0,0,0,1|2,0,0]=3 148 B13R1.1073 CC(N)(CC1=NC=CC=C1)C(=O)O Z4830335089 [0,0,0,0,0,1|2,0,0]=3 149 B13R1.1073 CC(O)(CC1=CC=CC=C1)C(=O)O Z1079110682 [0,0,0,0,0,1|0,0,0]=1 150 B13R1.1073 C[C@@](O)(CC1=CC=CC=C1)C(=O)O Z1198165765 [0,0,0,0,0,1|0,0,0]=1 151 B13R1.1073 C[C@](O)(CC1=CC=CC=C1)C(=O)O Z1198165764 [0,0,0,0,0,1|0,0,0]=1 152 B13R1.1073 O=C(O)C(F)(F)OC1=CC=CC=C1 Z445134424 [0,0,0,0,0,1|2,0,0]=3 153 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [2,0,0,0,0,0|1,0,0]=3 154 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [2,0,0,0,0,0|0,0,0]=2 155 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [2,0,0,0,0,0|1,0,1]=4 156 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [2,0,0,0,0,0|1,0,1]=4 157 B10R1.15 CN(N=O)C1=CC=CC=C1 Z87001980 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [2,0,0,0,0,0|1,0,1]=4 160 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [2,0,0,0,0,0|1,0,1]=4 161 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [2,0,0,0,0,0|1,0,1]=4 162 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [2,0,0,0,0,0|1,0,1]=4 164 B10R1.15 O=CC(=O)C1=CC=CC=C1 Z1954804411 [2,0,0,0,0,0|0,0,2]=4 165 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [2,0,0,0,0,0|1,0,1]=4 166 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [2,0,0,0,0,0|1,0,1]=4 167 B10R1.28 CC(C)(Br)C1=CC=CC=C1 Z2520694454 [2,0,0,0,0,0|1,0,1]=4 168 B10R1.28 CC(C)(C)C1=CC=CC=C1 Z104478422 [2,0,0,0,0,0|1,0,1]=4 169 B10R1.28 CC(C)(N)C1=CC=CC=C1 Z336079658 [2,0,0,0,0,0|1,0,1]=4 170 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [2,0,0,0,0,0|2,0,0]=4 171 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [2,0,0,0,0,0|2,0,0]=4 172 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [2,0,0,0,0,0|1,0,1]=4 173 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [2,0,0,0,0,0|2,0,0]=4 174 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [2,0,0,0,0,0|1,0,0]=3 175 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [2,0,0,0,0,0|2,0,0]=4 176 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [2,0,0,0,0,0|2,0,0]=4 177 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [2,0,0,0,0,0|1,1,0]=4 178 B10R1.18 O=C(O)CC1=CC=NC=C1 Z271099418 [2,0,0,0,0,0|1,0,0]=3 179 B10R1.18 O=C(O)CC1=CN=CC=C1 Z285131558 [2,0,0,0,0,0|1,0,0]=3 180 B10R1.18 O=C(O)CC1=CN=CN=C1 Z1889902548 [2,0,0,0,0,0|2,0,0]=4 181 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [2,0,0,0,0,0|1,0,0]=3 182 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [2,0,0,0,0,0|1,0,1]=4 183 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [2,0,0,0,0,0|1,0,1]=4 184 B12R1.9 CC(C)(C=O)C1=CC=C(C=C1)Br Z1269186802 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.9 CC(C)(CO)C1=CC=C(C=C1)N Z4991552655 [1,1,0,0,0,0|1,0,1]=4 186 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)Br Z2050688353 [1,1,0,0,0,0|1,0,1]=4 187 B12R1.9 CC(N)(CO)C1=CC=C(C=C1)O Z2111443595 [1,1,0,0,0,0|1,0,1]=4 188 B12R1.9 CC(O)(CN)C1=CC=C(C=C1)F Z1020684278 [1,1,0,0,0,0|1,0,1]=4 189 B12R1.9 CC(O)(CO)C1=CC=C(C=C1)Br Z1537124450 [1,1,0,0,0,0|0,0,1]=3 190 B12R1.9 CC1=CC=C(C=C1)C(C)(C)C=O Z1255385343 [1,1,0,0,0,0|1,0,0]=3 191 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Cl Z449374102 [1,1,0,0,0,0|1,0,1]=4 192 B12R1.10 CC(C)(C=O)C1=NC(=CC=C1)Cl Z3271515220 [1,1,0,0,0,0|2,0,0]=4 193 B12R1.10 CC(C)(CO)C1=CC(=CC=C1)N Z1416169387 [1,1,0,0,0,0|1,0,1]=4 194 B12R1.10 CC(N)(CO)C1=CC(=CC=C1)Br Z2939851870 [1,1,0,0,0,0|1,0,1]=4 195 B12R1.10 CC(N)(CO)C1=CC(=CC=C1)N Z2752202173 [1,1,0,0,0,0|1,0,1]=4 196 B12R1.10 CC(N)(CO)C1=CC(=CC=C1)O Z2111443115 [1,1,0,0,0,0|1,0,1]=4 197 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 Z1255440195 [1,1,0,0,0,0|1,0,1]=4 198 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [1,1,0,0,0,0|1,0,1]=4 199 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [1,1,0,0,0,0|1,0,1]=4 200 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [1,1,0,0,0,0|0,0,1]=3 201 B12R1.195 CC(N)(CO)C1=C(C=CC=C1)Cl Z4511734215 [1,1,0,0,0,0|1,0,1]=4 202 B12R1.195 CC(O)(CN)C1=C(C=CC=C1)Cl Z1020684190 [1,1,0,0,0,0|1,0,1]=4 203 B12R1.475 CC(CN)(CO)C1=CC=CC=C1 Z4522214749 [1,1,0,0,0,0|1,0,1]=4 204 B12R1.20 C=C(C(=O)O)C1=CC=C(C=C1)Cl Z1255421681 [1,1,0,0,0,0|0,0,2]=4 205 B12R1.20 CC(=O)C(C)C1=CC=C(C=C1)Cl Z1276728135 [1,1,0,0,0,0|1,0,0]=3 206 B12R1.20 CC(=O)C(Cl)C1=CC=C(C=C1)F Z1255439681 [1,1,0,0,0,0|2,0,0]=4 207 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N Z147641478 [1,1,0,0,0,0|2,0,0]=4 208 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)O Z335806634 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Br Z1259342200 [1,1,0,0,0,0|0,0,0]=2 210 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)Cl Z982129848 [1,1,0,0,0,0|0,0,0]=2 211 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F Z792377290 [1,1,0,0,0,0|0,0,0]=2 212 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)I Z1269218602 [1,1,0,0,0,0|0,0,0]=2 213 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)N Z2935001159 [1,1,0,0,0,0|0,0,0]=2 214 B12R1.20 CC1=CC=C(C=C1)C(=O)C(=O)O Z118430526 [1,1,0,0,0,0|0,0,2]=4 215 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O Z792377274 [1,1,0,0,0,0|0,0,0]=2 216 B12R1.20 CC1=CC=C(C=C1)C(N)C(=O)O Z317024662 [1,1,0,0,0,0|1,0,0]=3 217 B12R1.20 CN(C(=O)N)C1=CC=C(C=C1)O Z285211056 [1,1,0,0,0,0|2,0,0]=4 218 B12R1.20 NC(=O)C(Br)C1=CC=C(C=C1)F Z198750878 [1,1,0,0,0,0|2,0,0]=4 219 B12R1.20 NC(=O)C(Cl)C1=CC=C(C=C1)Br Z56791849 [1,1,0,0,0,0|2,0,0]=4 220 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Br Z57069227 [1,1,0,0,0,0|2,0,0]=4 221 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)Cl Z1255523404 [1,1,0,0,0,0|2,0,0]=4 222 B12R1.20 NC(=O)C(N)C1=CC=C(C=C1)F Z220512688 [1,1,0,0,0,0|2,0,0]=4 223 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Br Z317024668 [1,1,0,0,0,0|1,0,0]=3 224 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)Cl Z317024646 [1,1,0,0,0,0|1,0,0]=3 225 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)F Z317024670 [1,1,0,0,0,0|1,0,0]=3 226 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(C=C1)O Z1198149764 [1,1,0,0,0,0|1,0,0]=3 227 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)F Z1255390982 [1,1,0,0,0,0|1,0,0]=3 228 B12R1.20 N[C@H](C(=O)O)C1=CC=C(C=C1)O Z1255364887 [1,1,0,0,0,0|1,0,0]=3 229 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)Cl Z381360896 [1,1,0,0,0,0|0,0,2]=4 230 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)F Z381360860 [1,1,0,0,0,0|0,0,2]=4 231 B12R1.20 O=C(O)C(=O)C1=CC=C(C=C1)O Z2472464309 [1,1,0,0,0,0|0,0,2]=4 232 B12R1.20 O=C(O)C(F)C1=CC=C(C=C1)F Z1318255176 [1,1,0,0,0,0|1,0,0]=3 233 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Br Z788000726 [1,1,0,0,0,0|0,0,0]=2 234 B12R1.34 C=C(C#N)C(O)C1=CC=CC=C1 Z320966940 [1,1,0,0,0,0|2,0,0]=4 235 B12R1.34 C=CC(=O)N(C)C1=CC=CC=C1 Z440633576 [1,1,0,0,0,0|2,0,0]=4 236 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [1,1,0,0,0,0|1,0,1]=4 237 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 Z58322425 [1,1,0,0,0,0|2,0,0]=4 238 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 Z56896212 [1,1,0,0,0,0|2,0,0]=4 239 B12R1.34 CNC(=O)C(N)C1=CC=CC=C1 Z594038166 [1,1,0,0,0,0|2,0,0]=4 240 B12R1.34 CNC(=O)C(O)C1=CC=CC=C1 Z1203869997 [1,1,0,0,0,0|1,0,0]=3 241 B12R1.34 COC(=O)C(C)C1=CC=NC=C1 Z1143360472 [1,1,0,0,0,0|1,0,0]=3 242 B12R1.34 COC(=O)C(C)C1=CN=CC=C1 Z982129816 [1,1,0,0,0,0|1,0,0]=3 243 B12R1.34 COC(=O)C(C)C1=NC=CC=C1 Z1143356350 [1,1,0,0,0,0|1,0,0]=3 244 B12R1.34 COC(=O)C(C)C1=NC=CN=C1 Z1183458021 [1,1,0,0,0,0|2,0,0]=4 245 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 Z57046237 [1,1,0,0,0,0|1,0,0]=3 246 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 Z56757232 [1,1,0,0,0,0|1,0,0]=3 247 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 Z19752945 [1,1,0,0,0,0|0,0,0]=2 248 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 Z1250100620 [1,1,0,0,0,0|1,0,0]=3 249 B12R1.34 COC(=O)C(O)C1=NC=CC=C1 Z4130150180 [1,1,0,0,0,0|1,0,0]=3 250 B12R1.124 C=C(C(=O)O)C1=C(C=CC=C1)F Z1255374937 [1,1,0,0,0,0|0,0,2]=4 251 B12R1.124 CC(=O)C(N)C1=C(C=CC=C1)F Z2312540924 [1,1,0,0,0,0|2,0,0]=4 252 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)Cl Z982130746 [1,1,0,0,0,0|0,0,0]=2 253 B12R1.124 CC(C(=O)O)C1=C(C=CC=C1)F Z792377276 [1,1,0,0,0,0|0,0,0]=2 254 B12R1.124 CC1=C(C=CC=C1)C(C)C(=O)O Z792377258 [1,1,0,0,0,0|0,0,0]=2 255 B12R1.124 CC1=C(C=CC=C1)C(N)C(=O)O Z317024660 [1,1,0,0,0,0|1,0,0]=3 256 B12R1.124 CC1=C(C=CN=C1)C(C)C(=O)O Z3545523789 [1,1,0,0,0,0|1,0,0]=3 257 B12R1.124 CC1=C(N=CC=C1)C(O)C(=O)O Z1945984217 [1,1,0,0,0,0|1,0,0]=3 258 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)Br Z317024716 [1,1,0,0,0,0|1,0,0]=3 259 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)F Z317024726 [1,1,0,0,0,0|1,0,0]=3 260 B12R1.124 NC(C(=O)O)C1=C(C=CC=C1)I Z2941400819 [1,1,0,0,0,0|1,0,0]=3 261 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)Br Z788000812 [1,1,0,0,0,0|0,0,0]=2 262 B12R1.124 O=C(O)C(O)C1=C(C=CC=C1)I Z1269111466 [1,1,0,0,0,0|0,0,0]=2 263 B12R1.124 O=C(O)[C@H](O)C1=C(C=CC=C1)Cl Z1255488133 [1,1,0,0,0,0|0,0,0]=2 264 B12R1.225 CC(=O)C(O)C1=CC(=CC=C1)Cl Z1255467340 [1,1,0,0,0,0|1,0,0]=3 265 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)N Z802628524 [1,1,0,0,0,0|2,0,0]=4 266 B12R1.225 CC(C(=O)O)C1=CC(=CC=C1)F Z792377330 [1,1,0,0,0,0|0,0,0]=2 267 B12R1.225 CC1=CC(=CC=C1)C(=O)C(=O)O Z1255379743 [1,1,0,0,0,0|0,0,2]=4 268 B12R1.225 CC1=CC(=CC=C1)C(N)C(=O)O Z317024596 [1,1,0,0,0,0|1,0,0]=3 269 B12R1.225 CC1=CC(=CC=C1)C(O)C(=O)O Z788000614 [1,1,0,0,0,0|0,0,0]=2 270 B12R1.225 CC1=CC=CC(=C1)C(C)C(=O)O Z802854000 [1,1,0,0,0,0|0,0,0]=2 271 B12R1.225 CN(C(=O)N)C1=CC(=CC=C1)N Z802629090 [1,1,0,0,0,0|2,0,0]=4 272 B12R1.225 NC(=O)C(N)C1=CC(=CC=C1)Br Z477338262 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Br Z317024672 [1,1,0,0,0,0|1,0,0]=3 274 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)Cl Z317024654 [1,1,0,0,0,0|1,0,0]=3 275 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)F Z317024592 [1,1,0,0,0,0|1,0,0]=3 276 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)I Z3477438782 [1,1,0,0,0,0|1,0,0]=3 277 B12R1.225 NC(C(=O)O)C1=CC(=CC=C1)O Z1532541074 [1,1,0,0,0,0|1,0,0]=3 278 B12R1.225 NC1=CC(=CC=C1)C(O)C(=O)O Z1262512603 [1,1,0,0,0,0|0,0,0]=2 279 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Br Z788000730 [1,1,0,0,0,0|0,0,0]=2 280 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)Cl Z788000712 [1,1,0,0,0,0|0,0,0]=2 281 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)F Z788000610 [1,1,0,0,0,0|0,0,0]=2 282 B12R1.225 O=C(O)C(O)C1=CC(=CC=C1)I Z1269151011 [1,1,0,0,0,0|0,0,0]=2 283 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 Z104479150 [1,1,0,0,0,0|0,0,0]=2 284 B12R1.478 CCC(C(=O)O)C1=CN=CC=C1 Z982129822 [1,1,0,0,0,0|1,0,0]=3 285 B12R1.478 CCN(C(=O)C)C1=CC=CC=C1 Z58324632 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.478 CNC(C(=O)O)C1=CC=CC=C1 Z1259273212 [1,1,0,0,0,0|0,0,0]=2 287 B12R1.478 COC(C(=O)C)C1=CC=CC=C1 Z1513595127 [1,1,0,0,0,0|1,0,0]=3 288 B12R1.478 COC(C(=O)O)C1=CC=CC=C1 Z316258914 [1,1,0,0,0,0|0,0,0]=2 289 B12R1.478 CSC(C(=O)O)C1=CC=CC=C1 Z732206604 [1,1,0,0,0,0|0,0,0]=2 290 B12R1.478 NCC(C(=O)O)C1=CC=CC=C1 Z1913661007 [1,1,0,0,0,0|0,0,0]=2 291 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 Z1080722424 [1,1,0,0,0,0|0,0,0]=2 292 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 Z1262510670 [1,1,0,0,0,0|0,0,0]=2 293 B12R1.564 CC(C1=CC=CC=C1)C(C)(C)O Z2235789563 [1,1,0,0,0,0|1,0,1]=4 294 B12R1.564 CC(C1=CC=CC=C1)S(=O)(=O)F Z1210120079 [1,1,0,0,0,0|1,0,1]=4 295 B12R1.564 CC(C1=CC=CC=C1)S(=O)(=O)N Z954606652 [1,1,0,0,0,0|1,0,1]=4 296 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O Z55625577 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.838 CC1=CC(=CS1)C(C)(C)C(=O)O Z3233017420 [0,1,0,0,1,0|2,0,0]=4 298 B14R1.694 CC(=O)NC(C)(C)C1=CC=C(C=C1)Br Z407435796 [0,1,0,0,0,1|2,0,0]=4 299 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(C=C1)F Z1255380194 [0,1,0,0,0,1|1,0,0]=3 300 B14R1.694 CC(C)(CC(=O)O)C1=CC=C(C=C1)N Z1198223705 [0,1,0,0,0,1|1,0,0]=3 301 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O Z56347157 [0,1,0,0,0,1|1,0,0]=3 302 B14R1.3642 CCC(C)(NC(=O)N)C1=CC=CC=C1 Z1153386323 [0,1,0,0,0,1|2,0,0]=4 303 B14R1.3642 CCC(O)(CC(=O)N)C1=CC=CC=C1 Z1198158614 [0,1,0,0,0,1|1,0,0]=3 304 B14R1.3642 CCC(O)(CC(=O)O)C1=CC=CC=C1 Z982131910 [0,1,0,0,0,1|0,0,0]=2 305 B14R1.4403 CC(C)(CC(=O)O)C1=CC(=CC=C1)Br Z1269203545 [0,1,0,0,0,1|1,0,0]=3 306 B14R1.5805 CC(N)(CC(=O)O)C1=C(C=CC=C1)F Z2901994655 [0,1,0,0,0,1|1,0,0]=3 307 B14R1.1107 COC(=O)C(C)(N)CC1=CC=NC=C1 Z5198506246 [0,1,0,0,0,1|2,0,0]=4 308 B14R1.4404 CC(C)(CC1=CC(=CC=C1)Cl)C(=O)O Z995179628 [0,1,0,0,0,1|1,0,0]=3 309 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Br)C(=O)O Z803506418 [0,1,0,0,0,1|1,0,0]=3 310 B14R1.4404 CC(C)(OC1=CC(=CC=C1)Cl)C(=O)O Z274535144 [0,1,0,0,0,1|1,0,0]=3 311 B14R1.5882 CC(C)(CC1=C(C=CC=C1)Br)C(=O)O Z995179654 [0,1,0,0,0,1|1,0,0]=3 312 B14R1.5882 CC(N)(CC1=C(C=CC=C1)Br)C(=O)O Z4494019497 [0,1,0,0,0,1|1,0,0]=3 313 B14R1.5882 CC(O)(CN1C=CC=CC1=O)C(=O)O Z1233164908 [0,1,0,0,0,1|1,0,0]=3 314 B14R1.6391 CC(C1=CC=CC=C1)C(C)(O)C(=O)O Z1313537189 [0,1,0,0,0,1|0,0,0]=2 315 B14R1.6391 CC(O)(C(=O)O)C(N)C1=CC=CC=C1 Z2472856662 [0,1,0,0,0,1|0,0,0]=2 316 B14R1.6391 O=C(O)C(F)(F)C(O)C1=CC=CC=C1 Z982139262 [0,1,0,0,0,1|2,0,0]=4 317 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Br)C(=O)O Z995179700 [0,1,0,0,0,1|1,0,0]=3 318 B14R1.7626 CC(C)(CC1=CC=C(C=C1)Cl)C(=O)O Z995179626 [0,1,0,0,0,1|1,0,0]=3 319 B14R1.7626 CC(C)(CC1=CC=C(C=C1)O)C(=O)O Z1376887330 [0,1,0,0,0,1|1,0,0]=3 320 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Br)C(=O)O Z57229604 [0,1,0,0,0,1|1,0,0]=3 321 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)N Z57229605 [0,1,0,0,0,1|2,0,0]=4 322 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)O Z57727844 [0,1,0,0,0,1|1,0,0]=3 323 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)N Z84563429 [0,1,0,0,0,1|2,0,0]=4 324 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O Z57047005 [0,1,0,0,0,1|1,0,0]=3 325 B14R1.7626 CC(C)(SC1=CC=C(C=C1)Br)C(=O)O Z803539492 [0,1,0,0,0,1|1,0,0]=3 326 B14R1.7626 CC(N)(CC1=CC=C(C=C1)Br)C(=O)O Z2786605576 [0,1,0,0,0,1|1,0,0]=3 327 B14R1.7626 CC(N)(CC1=CC=C(C=C1)F)C(=O)O Z2734797269 [0,1,0,0,0,1|1,0,0]=3 328 B14R1.7626 C[C@](N)(CC1=CC=C(C=C1)O)C(=O)O Z1255434943 [0,1,0,0,0,1|1,0,0]=3 329 B14R1.8844 CC(CN)(CC1=CC=CC=C1)C(=O)O Z1255428184 [0,1,0,0,0,1|1,0,0]=3 330 B14R1.8844 CC(CN)(CC1=CC=NC=C1)C(=O)O Z1493030567 [0,1,0,0,0,1|2,0,0]=4 331 B14R1.213 CCC1=CC=C(C=C1)C(C)(C)C(=O)O Z992734918 [0,2,0,0,0,0|1,0,0]=3 332 B14R1.213 COC1=CC=C(C=C1)C(C)(C)C(=O)O Z725146374 [0,2,0,0,0,0|1,0,0]=3 333 B14R1.213 COC1=CC=C(C=C1)C(C)(N)C(=O)O Z1259340008 [0,2,0,0,0,0|1,0,0]=3 334 B14R1.699 CC(C)(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z725146456 [0,2,0,0,0,0|1,0,0]=3 335 B14R1.699 CC(C)(C(=O)O)C1=CC(=C(C=C1)F)Br Z1269205382 [0,2,0,0,0,0|1,0,0]=3 336 B14R1.699 CC(C)(C(=O)O)C1=CC(=C(C=C1)F)F Z1020787480 [0,2,0,0,0,0|1,0,0]=3 337 B14R1.699 CC(N)(C(=O)O)C1=CC(=C(C=C1)Cl)Cl Z317024936 [0,2,0,0,0,0|1,0,0]=3 338 B14R1.699 CC(O)(C(=O)O)C1=CC(=C(C=C1)F)Br Z1037543498 [0,2,0,0,0,0|0,0,0]=2 339 B14R1.699 CC1=C(C=CC(=C1)C(C)(C)C(=O)O)Br Z1269228277 [0,2,0,0,0,0|1,0,0]=3 340 B14R1.699 CC1=C(C=CC(=C1)C(C)(C)C(=O)O)F Z982130548 [0,2,0,0,0,0|1,0,0]=3 341 B14R1.1013 COC(=O)C(C)(C)C1=CC=C(C=C1)N Z1251112024 [0,2,0,0,0,0|1,0,0]=3 342 B14R1.1013 COC(=O)C(C)(N)C1=CC=C(C=C1)F Z2182115435 [0,2,0,0,0,0|1,0,0]=3 343 B14R1.1013 COC(=O)C(C)(O)C1=CC=C(C=C1)F Z965047710 [0,2,0,0,0,0|0,0,0]=2 344 B14R1.3637 CCC(O)(C(=O)N)C1=CC=C(C=C1)Br Z965049276 [0,2,0,0,0,0|1,0,0]=3 345 B14R1.3637 CNC(C)(C(=O)O)C1=CC=C(C=C1)F Z446011030 [0,2,0,0,0,0|1,0,0]=3 346 B14R1.4470 CC(C)(C(=O)N)C1=C(C=C(C=C1)F)F Z2833796303 [0,2,0,0,0,0|2,0,0]=4 347 B14R1.4470 CC(C)(C(=O)O)C1=C(C=C(C=C1)Cl)F Z1269164280 [0,2,0,0,0,0|1,0,0]=3 348 B14R1.4470 CC(C)(C(=O)O)C1=C(C=C(C=C1)F)F Z1020789050 [0,2,0,0,0,0|1,0,0]=3 349 B14R1.4470 CC(N)(C(=O)O)C1=C(C=C(C=C1)F)Br Z3016125308 [0,2,0,0,0,0|1,0,0]=3 350 B14R1.4470 CC1=C(C=CC(=C1)Br)C(C)(C)C(=O)O Z1269203317 [0,2,0,0,0,0|1,0,0]=3 351 B14R1.4470 O=C(O)C(F)(F)C1=C(C=C(C=C1)F)F Z1020789036 [0,2,0,0,0,0|2,0,0]=4 352 B14R1.1014 CNC(=O)C(C)(C)C1=CC(=CC=C1)Cl Z1233570350 [0,2,0,0,0,0|2,0,0]=4 353 B14R1.1014 COC(=O)C(C)(C)C1=CC(=CC=C1)O Z1513807936 [0,2,0,0,0,0|1,0,0]=3 354 B14R1.1014 COC(=O)C(C)(N)C1=CC(=CC=C1)Br Z477335806 [0,2,0,0,0,0|1,0,0]=3 355 B14R1.2982 CCC(N)(C(=O)OC)C1=CC=CC=C1 Z477335874 [0,2,0,0,0,0|1,0,0]=3 356 B14R1.2982 CNC(C)(C(=O)OC)C1=NC=CC=C1 Z477326142 [0,2,0,0,0,0|2,0,0]=4 357 B14R1.2982 COC(=O)C(C)(C#N)C1=CC=CC=C1 Z1742107433 [0,2,0,0,0,0|1,0,0]=3 358 B14R1.2982 COC(=O)C(C)(CO)C1=CC=CC=C1 Z1255387777 [0,2,0,0,0,0|0,0,0]=2 359 B14R1.3645 CCC(N)(C(=O)O)C1=CC(=CC=C1)Cl Z234896483 [0,2,0,0,0,0|1,0,0]=3 360 B14R1.3645 CCC(O)(C(=O)O)C1=CC(=CC=C1)Cl Z788000402 [0,2,0,0,0,0|0,0,0]=2 361 B14R1.3647 COC(C)(C(=O)O)C1=C(C=CC=C1)F Z803492282 [0,2,0,0,0,0|0,0,0]=2 362 B14R1.6396 CC(C)C(N)(C(=O)O)C1=CC=CC=C1 Z600432356 [0,2,0,0,0,0|1,0,0]=3 363 B14R1.6396 CC(C)C(O)(C(=O)O)C1=CC=CC=C1 Z788000930 [0,2,0,0,0,0|0,0,0]=2 364 B14R1.6396 CN(C)C(C)(C(=O)O)C1=CC=CC=C1 Z1816233824 [0,2,0,0,0,0|1,0,0]=3 365 B14R1.6716 COCC(N)(C(=O)O)C1=CC=CC=C1 Z898422736 [0,2,0,0,0,0|1,0,0]=3 366 B14R1.6939 CCC(CC)(C(=O)O)C1=CC=CC=C1 Z336127810 [0,2,0,0,0,0|1,0,0]=3 367 B14R1.3583 CC(C)(C(=O)O)C1=CC(=CC=C1)C#N Z982130160 [0,2,0,0,0,0|1,0,0]=3 368 B14R1.3583 COC1=CC(=CC=C1)C(C)(C)C(=O)O Z801751988 [0,2,0,0,0,0|1,0,0]=3 369 B14R1.3583 COC1=CC(=CC=C1)C(F)(F)C(=O)O Z335859738 [0,2,0,0,0,0|2,0,0]=4 370 B14R1.4255 CC(N)(C(=O)O)C1=CC(=CC(=C1)Cl)Cl Z1269177645 [0,2,0,0,0,0|1,0,0]=3 371 B14R1.4255 O=C(O)C(F)(F)C1=CC(=CC(=C1)F)F Z982129370 [0,2,0,0,0,0|2,0,0]=4 372 B14R1.4407 CC(C)(C(=O)O)C1=C(C(=CC=C1)Cl)F Z1269125240 [0,2,0,0,0,0|1,0,0]=3 373 B14R1.4407 O=C(O)C(F)(F)C1=C(C(=CC=C1)Br)Cl Z3581697372 [0,2,0,0,0,0|2,0,0]=4 374 B14R1.4407 O=C(O)C(F)(F)C1=C(C(=CC=C1)Cl)Cl Z982129366 [0,2,0,0,0,0|2,0,0]=4 375 B14R1.4407 O=C(O)C(F)(F)C1=C(C(=CC=C1)F)F Z1184885643 [0,2,0,0,0,0|2,0,0]=4 376 B14R1.4471 CC(C)(C(=O)O)C1=C(C=CC(=C1)Br)F Z1269152429 [0,2,0,0,0,0|1,0,0]=3 377 B14R1.4471 CC(N)(C(=O)O)C1=C(C=CC(=C1)Br)F Z1269144569 [0,2,0,0,0,0|1,0,0]=3 378 B14R1.4471 CC(N)(C(=O)O)C1=C(C=CC(=C1)F)F Z317024830 [0,2,0,0,0,0|1,0,0]=3 379 B14R1.4471 CC1=C(C=C(C=C1)F)C(F)(F)C(=O)O Z982129406 [0,2,0,0,0,0|2,0,0]=4 380 B14R1.4471 O=C(O)C(F)(F)C1=C(C=CC(=C1)Cl)Cl Z982129430 [0,2,0,0,0,0|2,0,0]=4 381 B14R1.4471 O=C(O)C(F)(F)C1=C(C=CC(=C1)F)F Z1020793976 [0,2,0,0,0,0|2,0,0]=4 382 B14R1.1711 CCC1=C(C=CC=C1)C(F)(F)C(=O)O Z2141842155 [0,2,0,0,0,0|2,0,0]=4 383 B14R1.1711 COC1=C(C=CC=C1)C(C)(C)C(=O)O Z725146392 [0,2,0,0,0,0|1,0,0]=3 384 B12R2.48 O=CC1(CC1)C2=CC=CC=C2 Z1079097808 [1,0,0,1,0,0|1,0,0]=3 385 B12R2.48 OCC1(CC1)C2=CC=CC=C2 Z1033255944 [1,0,0,1,0,0|1,0,1]=4 386 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [1,0,0,1,0,0|1,0,1]=4 387 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [1,0,0,1,0,0|1,0,1]=4 388 B12R2.2403 CC1(COC2=C1C=CC=C2)N Z5094222723 [1,0,0,1,0,0|1,0,1]=4 389 B12R2.18 CC1C(=O)NC2=C1C=CC=C2 Z425452744 [1,0,0,1,0,0|1,0,0]=3 390 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [1,0,0,1,0,0|1,0,1]=4 391 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 Z56899025 [1,0,0,1,0,0|2,0,0]=4 392 B12R2.18 CN1C(=O)NC2=C1C=CC=C2 Z57070418 [1,0,0,1,0,0|2,0,0]=4 393 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 Z335244966 [1,0,0,1,0,0|1,0,0]=3 394 B12R2.18 O=C1NC2=C(N1O)C=CC=C2 Z1416184382 [1,0,0,1,0,0|2,0,0]=4 395 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [1,0,0,1,0,0|2,0,0]=4 396 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [1,0,0,1,0,0|1,0,1]=4 397 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [1,0,0,1,0,0|2,0,0]=4 398 B12R2.256 O=C(O)C1(CC1)C2=CC=CS2 Z992250128 [0,0,0,1,1,0|2,0,0]=4 399 B14R2.1014 O=C(O)CC1(CC1)C2=CC=CC=C2 Z1255374825 [0,0,0,1,0,1|1,0,0]=3 400 B14R2.2950 CC1(CNC(=O)C1)C2=CC=CC=C2 Z1263715001 [0,0,0,1,0,1|2,0,0]=4 401 B14R2.2950 CC1(CNC(=O)N1)C2=CC=CC=C2 Z1509151367 [0,0,0,1,0,1|2,0,0]=4 402 B14R2.8189 CC1(CC(=O)NC2=C1C=CC=C2)C Z1198305563 [0,0,0,1,0,1|2,0,0]=4 403 B14R2.9520 CC1(CC1C(=O)O)C2=CC=CC=C2 Z979743476 [0,0,0,1,0,1|1,0,0]=3 404 B14R2.9520 NC(=O)C1CC1(F)C2=CC=CC=C2 Z1262684484 [0,0,0,1,0,1|2,0,0]=4 405 B14R2.441 CC1(C(=O)CC1C2=CC=CC=C2)C Z1436533434 [0,0,0,1,0,1|2,0,0]=4 406 B14R2.441 CC1(C(=O)NC1C2=CC=CC=C2)C Z1198154811 [0,0,0,1,0,1|2,0,0]=4 407 B14R2.639 CC1(CC2=C(C=CC=C2)NC1=O)C Z1258981363 [0,0,0,1,0,1|2,0,0]=4 408 B14R2.639 CC1(NC2=C(C=CC=C2)NC1=O)C Z56913174 [0,0,0,1,0,1|2,0,0]=4 409 B14R2.639 CC1(OC2=C(C=CC=C2)NC1=O)C Z1203162506 [0,0,0,1,0,1|2,0,0]=4 410 B14R2.639 CC1OC2=C(C=CC=C2)OC1(C)O Z56761722 [0,0,0,1,0,1|1,0,1]=4 411 B14R2.786 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C(=O)O Z2298158000 [0,0,0,1,0,1|1,0,0]=3 412 B14R2.788 O=C(O)C1(CC1)CC2=CC=CC=C2 Z1255403792 [0,0,0,1,0,1|1,0,0]=3 413 B14R2.788 O=C(O)C1(CC1)CC2=CN=CC=C2 Z2738556356 [0,0,0,1,0,1|2,0,0]=4 414 B14R2.788 O=C(O)C1(CC1)NC2=CC=CC=C2 Z1262549981 [0,0,0,1,0,1|1,0,0]=3 415 B14R2.788 O=C(O)C1(CC1)OC2=CC=CC=C2 Z1262536690 [0,0,0,1,0,1|1,0,0]=3 416 B14R2.789 CC1(CC2=C(C1)C=CC=C2)C(=O)O Z1259317000 [0,0,0,1,0,1|1,0,0]=3 417 B14R2.789 NC(=O)C1(CC2=C(C1)C=CC=C2)N Z1268152424 [0,0,0,1,0,1|2,0,0]=4 418 B14R2.789 NC(=O)C1(CC2=C(C1)C=CC=C2)O Z965049106 [0,0,0,1,0,1|1,0,0]=3 419 B14R2.789 NC1(CC2=C(C1)C=CC=C2)C(=O)O Z336080064 [0,0,0,1,0,1|1,0,0]=3 420 B14R2.4646 CC1(C(=O)NC2=C1C=CC(=C2)Br)C Z1269209092 [0,1,0,1,0,0|2,0,0]=4 421 B14R2.4646 CC1(C(=O)NC2=C1C=CC(=C2)F)C Z1255374254 [0,1,0,1,0,0|2,0,0]=4 422 B14R2.10595 CC1=CC=C(C=C1)C2(CC2)C(=O)O Z390130610 [0,1,0,1,0,0|1,0,0]=3 423 B14R2.10595 CC1=NC=C(C=C1)C2(CC2)C(=O)O Z4414482178 [0,1,0,1,0,0|2,0,0]=4 424 B14R2.10595 NC(=O)C1(CC1)C2=CC=C(C=C2)Cl Z68591097 [0,1,0,1,0,0|2,0,0]=4 425 B14R2.10595 NC(=O)C1(CC1)C2=CC=C(C=C2)F Z300502674 [0,1,0,1,0,0|2,0,0]=4 426 B14R2.10595 NC1=CC=C(C=C1)C2(CC2)C(=O)O Z4965080259 [0,1,0,1,0,0|1,0,0]=3 427 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br Z235345065 [0,1,0,1,0,0|1,0,0]=3 428 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Cl Z104485910 [0,1,0,1,0,0|1,0,0]=3 429 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)F Z228588556 [0,1,0,1,0,0|1,0,0]=3 430 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)I Z1269158983 [0,1,0,1,0,0|1,0,0]=3 431 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)O Z1251415590 [0,1,0,1,0,0|1,0,0]=3 432 B14R2.10595 O=C(O)C1(CC1)C2=NC=C(C=C2)F Z1262529303 [0,1,0,1,0,0|2,0,0]=4 433 B14R2.317 CC1(CCNC1=O)C2=CC=CC=C2 Z1509156364 [0,1,0,1,0,0|2,0,0]=4 434 B14R2.979 COC(=O)C1(CC1)C2=CC=CC=C2 Z24772318 [0,1,0,1,0,0|1,0,0]=3 435 B14R2.9535 CC1(CCC2=C1C=CC=C2)C(=O)O Z1259317290 [0,1,0,1,0,0|1,0,0]=3 436 B14R2.9535 NC1(CCC2=C1C=CC=C2)C(=O)O Z234896489 [0,1,0,1,0,0|1,0,0]=3 437 B14R2.9538 O=C(O)C1(CCC1)C2=CC=CC=C2 Z111414052 [0,1,0,1,0,0|1,0,0]=3 438 B14R2.4507 CC1(C(=O)NC2=C1C=C(C=C2)Br)C Z1210585562 [0,1,0,1,0,0|2,0,0]=4 439 B14R2.4507 CC1(C(=O)NC2=C1C=C(C=C2)Cl)C Z1255374903 [0,1,0,1,0,0|2,0,0]=4 440 B14R2.4507 CC1(C(=O)OC2=C1C=C(C=C2)O)C Z1513821827 [0,1,0,1,0,0|1,0,0]=3 441 B14R2.20876 CC1=CC(=CC=C1)C2(CC2)C(=O)O Z363997682 [0,1,0,1,0,0|1,0,0]=3 442 B14R2.20876 NC(=O)C1(CC1)C2=CC(=CC=C2)Br Z300502662 [0,1,0,1,0,0|2,0,0]=4 443 B14R2.20876 NC(=O)C1(CC1)C2=CC(=CC=C2)Cl Z317545410 [0,1,0,1,0,0|2,0,0]=4 444 B14R2.20876 O=C(O)C1(CC1)C2=CC(=CC=C2)Br Z295887766 [0,1,0,1,0,0|1,0,0]=3 445 B14R2.20876 O=C(O)C1(CC1)C2=CC(=CC=C2)Cl Z300085964 [0,1,0,1,0,0|1,0,0]=3 446 B14R2.20876 O=C(O)C1(CC1)C2=CC(=CC=C2)F Z361883656 [0,1,0,1,0,0|1,0,0]=3 447 B14R2.20876 O=C(O)C1(CC1)C2=CC(=CN=C2)Br Z1269214385 [0,1,0,1,0,0|2,0,0]=4 448 B14R2.20876 O=C(O)C1(CC1)C2=NC=CC(=C2)Br Z2755867448 [0,1,0,1,0,0|2,0,0]=4 449 B14R2.4628 CC1(CNC1=O)C2=C(C=CC=C2)F Z1665650990 [0,1,0,1,0,0|2,0,0]=4 450 B14R2.4630 CC1=C(C=CC=C1)C2(CC2)C(=O)O Z361883512 [0,1,0,1,0,0|1,0,0]=3 451 B14R2.4630 NC(=O)C1(CC1)C2=C(C=CC=C2)F Z1231613804 [0,1,0,1,0,0|2,0,0]=4 452 B14R2.4630 NC1=C(C=CC=C1)C2(CC2)C(=O)[O-] Z4339340046 [0,1,0,1,0,0|1,0,1]=4 453 B14R2.4630 O=C(O)C1(CC1)C2=C(C=CC=C2)Br Z1020847944 [0,1,0,1,0,0|1,0,0]=3 454 B14R2.4630 O=C(O)C1(CC1)C2=C(C=CC=C2)F Z825741286 [0,1,0,1,0,0|1,0,0]=3 455 B14R2.4630 O=C(O)C1(CC1)C2=C(C=CC=C2)I Z1201141800 [0,1,0,1,0,0|1,0,0]=3 456 B14R2.4630 O=C(O)C1(CC1)C2=C(C=CC=C2)O Z1258978565 [0,1,0,1,0,0|1,0,0]=3 457 B14R3.698 O=C1NC2=C(C13CC3)C=CC=C2 Z1255387960 [0,0,0,2,0,0|2,0,0]=4 458 B10R1.23 CC(C(=O)O)C1=CC=CO1 Z792377294 [1,0,0,0,1,0|1,0,0]=3 459 B10R1.23 CC(C(=O)O)C1=CC=NN1 Z4751117307 [1,0,0,0,1,0|2,0,0]=4 460 B10R1.23 CC(C(=O)O)C1=CSC=C1 Z954552432 [1,0,0,0,1,0|1,0,0]=3 461 B10R1.23 CC(C(=O)O)N1C=CC=C1 Z223656256 [1,0,0,0,1,0|1,0,0]=3 462 B10R1.23 CC(C(=O)O)N1C=CC=N1 Z406680018 [1,0,0,0,1,0|2,0,0]=4 463 B10R1.23 CC(C(=O)O)N1C=CN=C1 Z415636668 [1,0,0,0,1,0|2,0,0]=4 464 B10R1.23 NC(C(=O)O)C1=CC=CS1 Z803154920 [1,0,0,0,1,0|2,0,0]=4 465 B10R1.23 NC(C(=O)O)C1=CSC=C1 Z1696871277 [1,0,0,0,1,0|2,0,0]=4 466 B10R1.23 O=C(O)C(O)C1=CNC=N1 Z2301534488 [1,0,0,0,1,0|2,0,0]=4 467 B10R1.23 O=C(O)C(O)C1=CSC=C1 Z788000616 [1,0,0,0,1,0|1,0,0]=3 468 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [1,0,0,0,0,1|1,0,0]=3 469 B12R1.194 CC(C)(C=O)OC1=CC=CC=C1 Z1511766557 [1,0,0,0,0,1|1,0,0]=3 470 B12R1.43 C/C(=C\C1=CC=CC=C1)/C(=O)O Z2980228149 [1,0,0,0,0,1|0,0,1]=3 471 B12R1.43 C/C(=C\C1=CC=NC=C1)/C(=O)O Z2466682039 [1,0,0,0,0,1|1,0,1]=4 472 B12R1.43 C/C(=C\C1=CN=CC=C1)/C(=O)O Z2467131746 [1,0,0,0,0,1|1,0,1]=4 473 B12R1.43 C/C(=C\C1=NC=CC=C1)/C(=O)O Z2467234655 [1,0,0,0,0,1|1,0,1]=4 474 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [1,0,0,0,0,1|2,0,0]=4 475 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [1,0,0,0,0,1|0,0,0]=2 476 B12R1.43 CC(CC1=CC=NC=C1)C(=O)O Z3477804988 [1,0,0,0,0,1|1,0,0]=3 477 B12R1.43 CC(NC1=CC=CC=C1)C(=O)O Z57982184 [1,0,0,0,0,1|0,0,0]=2 478 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O Z57825333 [1,0,0,0,0,1|0,0,0]=2 479 B12R1.43 CC(OC1=CN=CC=C1)C(=O)O Z336080820 [1,0,0,0,0,1|1,0,0]=3 480 B12R1.43 CC(OC1=NC=CC=C1)C(=O)O Z360507460 [1,0,0,0,0,1|1,0,0]=3 481 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [1,0,0,0,0,1|1,0,0]=3 482 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O Z90122656 [1,0,0,0,0,1|0,0,0]=2 483 B12R1.43 CC(SC1=NC=CC=C1)C(=O)N Z18886410 [1,0,0,0,0,1|2,0,0]=4 484 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O Z31250551 [1,0,0,0,0,1|1,0,0]=3 485 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O Z31250552 [1,0,0,0,0,1|2,0,0]=4 486 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [1,0,0,0,0,1|2,0,0]=4 487 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [1,0,0,0,0,1|0,0,0]=2 488 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [1,0,0,0,0,1|2,0,0]=4 489 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [1,0,0,0,0,1|2,0,0]=4 490 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [1,0,0,0,0,1|2,0,0]=4 491 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [1,0,0,0,0,1|1,0,0]=3 492 B12R1.43 NC(CC1=CC=NC=C1)C(=O)O Z1675026076 [1,0,0,0,0,1|2,0,0]=4 493 B12R1.43 NC(CC1=CN=CC=C1)C(=O)O Z3235906342 [1,0,0,0,0,1|2,0,0]=4 494 B12R1.43 NC(CC1=NC=CC=C1)C(=O)O Z3235025558 [1,0,0,0,0,1|2,0,0]=4 495 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [1,0,0,0,0,1|1,0,0]=3 496 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [1,0,0,0,0,1|1,0,0]=3 497 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 Z285151774 [1,0,0,0,0,1|0,0,2]=4 498 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 Z362848468 [1,0,0,0,0,1|0,0,2]=4 499 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [1,0,0,0,0,1|0,0,0]=2 500 B12R1.43 O=C(O)C(O)CC1=NC=CC=C1 Z3486862716 [1,0,0,0,0,1|1,0,0]=3 501 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [1,0,0,0,0,1|0,0,0]=2 502 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [1,0,0,0,0,1|0,0,0]=2 503 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 Z352748396 [1,0,0,0,0,1|0,0,1]=3 504 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [1,0,0,0,0,1|1,0,1]=4 505 B12R1.107 C/C(=C\C(=O)O)/C1=CN=CC=C1 Z352748104 [1,0,0,0,0,1|1,0,1]=4 506 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [1,0,0,0,0,1|1,0,0]=3 507 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [1,0,0,0,0,1|0,0,0]=2 508 B12R1.107 CC(CC(=O)O)C1=CC=NC=C1 Z352782496 [1,0,0,0,0,1|1,0,0]=3 509 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [1,0,0,0,0,1|2,0,0]=4 510 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [1,0,0,0,0,1|1,0,0]=3 511 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [1,0,0,0,0,1|1,1,0]=4 512 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [1,0,0,0,0,1|2,0,0]=4 513 B12R1.107 CN(CC(=O)O)C1=CC=CC=C1 Z1162448842 [1,0,0,0,0,1|1,0,0]=3 514 B12R1.107 CN(CC(=O)O)C1=CC=NC=C1 Z317257814 [1,0,0,0,0,1|2,0,0]=4 515 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [1,0,0,0,0,1|1,0,0]=3 516 B12R1.107 NC(CC(=O)O)C1=CC=NC=C1 Z317027344 [1,0,0,0,0,1|2,0,0]=4 517 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [1,0,0,0,0,1|1,0,0]=3 518 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [1,0,0,0,0,1|1,0,0]=3 519 B12R1.107 O=C(O)/C=C(\I)/C1=CC=CC=C1 Z3379426714 [1,0,0,0,0,1|1,0,1]=4 520 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [1,0,0,0,0,1|0,0,0]=2 521 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [1,0,0,0,0,1|0,0,2]=4 522 B12R1.259 CC(C)(CC(=O)O)C1=CC=CS1 Z336081084 [0,0,0,0,1,1|2,0,0]=4 523 B14R1.813 CC(C)(CCC(=O)O)C1=CC=CC=C1 Z836527416 [0,0,0,0,0,2|1,0,0]=3 524 B14R1.1485 CC(C)(CC(=O)O)CC1=CC=CC=C1 Z1251359785 [0,0,0,0,0,2|1,0,0]=3 525 B14R1.6395 CC(N)(CCC1=CC=CC=C1)C(=O)O Z594271932 [0,0,0,0,0,2|1,0,0]=3 526 B14R1.6395 CC(N)(COC1=CC=CC=C1)C(=O)N Z898430760 [0,0,0,0,0,2|2,0,0]=4 527 B14R1.6395 CC(O)(CCC1=CC=CC=C1)C(=O)O Z788000488 [0,0,0,0,0,2|0,0,0]=2 528 B14R1.6395 O=C(O)C(F)(F)/C=C/C1=CC=CC=C1 Z1262527962 [0,0,0,0,0,2|2,0,0]=4